3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

C16H24FN3O — CID 107117141

IUPAC3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(NCc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C16H24FN3O/c1-2-11-5-3-7-13(9-11)19-10-12-6-4-8-14(15(12)17)16(18)20-21/h4,6,8,11,13,19,21H,2-3,5,7,9-10H2,1H3,(H2,18,20)
InChIKeyZNHUHHHAWZYOBG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.98
Rot. Bonds5

About 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107117141) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107117141
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCC(NCc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C16H24FN3O/c1-2-11-5-3-7-13(9-11)19-10-12-6-4-8-14(15(12)17)16(18)20-21/h4,6,8,11,13,19,21H,2-3,5,7,9-10H2,1H3,(H2,18,20)
InChIKeyZNHUHHHAWZYOBG-UHFFFAOYSA-N
XLogP2.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 106256785
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
3-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116955
3-[[(1-ethylcyclobutyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117447
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 64742005
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77029815
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 107117141) is 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCC(NCc2cccc(/C(N)=N/O)c2F)C1.
What is the InChIKey of 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZNHUHHHAWZYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-11-5-3-7-13(9-11)19-10-12-6-4-8-14(15(12)17)16(18)20-21/h4,6,8,11,13,19,21H,2-3,5,7,9-10H2,1H3,(H2,18,20).
What are the key properties of 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 293.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107117141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).